REMARK  Name = BDB016298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.624  -1.651  -0.309  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -2.259  -0.385  -0.531  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.640   0.751  -0.000  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.994   0.524   0.754  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.292   2.030   0.199  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.697   2.635  -1.122  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.968   2.072  -1.665  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.173   0.737  -1.748  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.043   0.546  -2.231  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.841   2.823  -2.111  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.379   1.968   1.269  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.421  -0.382  -1.337  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.954  -1.606  -1.801  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.343  -2.826  -1.534  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.173  -2.848  -0.796  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1        1.276  -0.699  -1.220  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1        0.859  -1.357   0.047  0.00  0.00    +0.045 A 
ATOM     18  N   LIG    1        1.708  -1.645   1.097  0.00  0.00    -0.261 N 
ATOM     19  N   LIG    1        1.075  -2.247   2.135  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -0.196  -2.322   1.742  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1       -0.396  -1.772   0.463  0.00  0.00    +0.024 A 
BRANCH  18  22
ATOM     22  C   LIG    1        3.159  -1.412   1.228  0.00  0.00    +0.134 C 
ATOM     23  C   LIG    1        3.947  -2.464   0.441  0.00  0.00    +0.038 C 
BRANCH  22  24
ATOM     24  C   LIG    1        3.527   0.049   0.996  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        4.388   0.467  -0.031  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.696   1.820  -0.199  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.154   2.775   0.658  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.305   2.380   1.687  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.997   1.029   1.857  0.00  0.00    +0.006 A 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   1  21
TORSDOF 3